7-methyl-4-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N2O3S/c1-14-4-5-16-15(12-19(23)25-17(16)11-14)13-21-6-8-22(9-7-21)20(24)18-3-2-10-26-18/h2-5,10-12H,6-9,13H2,1H3/p+1